![3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one structure](/static/products/429/42974-43-6.png)
3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one
TL;DR: 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one (CAS 42974-43-6) is a chemical compound with molecular formula C15H10F3NO2 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
Also Known As: BAS 05896195, 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one, 3-(3-Trifluoromethyl-phenylamino)-3H-isobenzofuran-1-one, 3-((3-(trifluoromethyl)phenyl)amino)isobenzofuran-1(3H)-one, 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one
| Molecular Formula | C15H10F3NO2 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 3.9865 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.06638 |
| Heavy Atoms | 21 |
| Complexity | 697.31323 |
Chemical Identifiers
| CAS Number | 42974-43-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one (CAS 42974-43-6), with molecular formula C15H10F3NO2 and molecular weight 293.07 g/mol. IUPAC: 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one
Property Insights of 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one
The XLogP value of 3.9865 indicates that 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one?
The CAS number of 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one is 42974-43-6.
What is the molecular formula of 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one?
The molecular formula of 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one is C15H10F3NO2.
What is the molecular weight of 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one?
The molecular weight of 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one is 293.07 g/mol.
Where can I buy 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one?
You can request a quote for 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(trifluoromethyl)phenyl]amino}-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.